2-[cyclopropylmethyl-[3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclobutyl]amino]acetic acid

C20H26N2O3 — CID 129008353

IUPAC2-[cyclopropylmethyl-[3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclobutyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NC(=O)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C20H26N2O3/c23-19(24)12-22(11-13-4-5-13)18-9-17(10-18)21-20(25)16-7-6-14-2-1-3-15(14)8-16/h6-8,13,17-18H,1-5,9-12H2,(H,21,25)(H,23,24)
InChIKeyKPKUZAXEOLQLPQ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.23
Rot. Bonds7

About 2-[cyclopropylmethyl-[3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclobutyl]amino]acetic acid

2-[cyclopropylmethyl-[3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclobutyl]amino]acetic acid (PubChem CID 129008353) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclobutyl]amino]acetic acid
PubChem CID129008353
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-[cyclopropylmethyl-[3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclobutyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NC(=O)c2ccc3c(c2)CCC3)C1
InChIInChI=1S/C20H26N2O3/c23-19(24)12-22(11-13-4-5-13)18-9-17(10-18)21-20(25)16-7-6-14-2-1-3-15(14)8-16/h6-8,13,17-18H,1-5,9-12H2,(H,21,25)(H,23,24)
InChIKeyKPKUZAXEOLQLPQ-UHFFFAOYSA-N
XLogP2.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopropylmethyl-[3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclobutyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[cyclopropyl(cyclopropylmethyl)amino]-1-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 64522384
2-[cyclopropylmethyl-[3-(1,2-oxazole-3-carbonylamino)cyclobutyl]amino]acetic acid
CID 129004809
3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclohexane-1-carboxylic acid
CID 63043266
2-[[3-[(5-chlorofuran-2-carbonyl)amino]cyclobutyl]-(cyclopropylmethyl)amino]acetic acid
CID 154744038
2-[cyclopropylmethyl-[3-[[4-(methylcarbamoyl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122074740
2-[cyclopropylmethyl-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 167867722
2-[cyclopropylmethyl-[3-[[4-(2-oxoazetidin-1-yl)phenyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122092580
2-[cyclopropylmethyl-[3-[[2-[(2R)-oxan-2-yl]acetyl]amino]cyclobutyl]amino]acetic acid
CID 129342654
2-[cyclopropylmethyl-[3-[(2-fluoro-6-methoxybenzoyl)amino]cyclobutyl]amino]acetic acid
CID 129008340
2-[cyclopropylmethyl-[3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]cyclobutyl]amino]acetic acid
CID 128999116
3-(2,3-dihydro-1H-indene-5-carbonylamino)propanoic acid
CID 18071901
N-(2-aminocyclopropyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 43593856

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclobutyl]amino]acetic acid (CID 129008353) is 2-[cyclopropylmethyl-[3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclobutyl]amino]acetic acid is O=C(O)CN(CC1CC1)C1CC(NC(=O)c2ccc3c(c2)CCC3)C1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclobutyl]amino]acetic acid?
The InChIKey is KPKUZAXEOLQLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c23-19(24)12-22(11-13-4-5-13)18-9-17(10-18)21-20(25)16-7-6-14-2-1-3-15(14)8-16/h6-8,13,17-18H,1-5,9-12H2,(H,21,25)(H,23,24).
What are the key properties of 2-[cyclopropylmethyl-[3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclobutyl]amino]acetic acid has a molecular weight of 342.44 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclobutyl]amino]acetic acid is sourced from PubChem (CID 129008353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).